4-acetamido-1-hydroxy-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide

C30H30N2O4 — CID 3901259

IUPAC4-acetamido-1-hydroxy-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide
SMILESCCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3cc(NC(C)=O)c4ccccc4c3O)cc2)cc1
InChIInChI=1S/C30H30N2O4/c1-5-30(3,4)20-10-14-22(15-11-20)36-23-16-12-21(13-17-23)32-29(35)26-18-27(31-19(2)33)24-8-6-7-9-25(24)28(26)34/h6-18,34H,5H2,1-4H3,(H,31,33)(H,32,35)
InChIKeyVNIDLUSQNLHLHD-UHFFFAOYSA-N
MW482.58 g/mol
LogP7.24
Rot. Bonds7

About 4-acetamido-1-hydroxy-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide

4-acetamido-1-hydroxy-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide (PubChem CID 3901259) has the molecular formula C30H30N2O4 and a molecular weight of 482.58 g/mol. Its IUPAC name is 4-acetamido-1-hydroxy-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name4-acetamido-1-hydroxy-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide
PubChem CID3901259
Molecular FormulaC30H30N2O4
Molecular Weight482.58 g/mol
Exact Mass482.22
IUPAC Name4-acetamido-1-hydroxy-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide
SMILESCCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3cc(NC(C)=O)c4ccccc4c3O)cc2)cc1
InChIInChI=1S/C30H30N2O4/c1-5-30(3,4)20-10-14-22(15-11-20)36-23-16-12-21(13-17-23)32-29(35)26-18-27(31-19(2)33)24-8-6-7-9-25(24)28(26)34/h6-18,34H,5H2,1-4H3,(H,31,33)(H,32,35)
InChIKeyVNIDLUSQNLHLHD-UHFFFAOYSA-N
XLogP7.24
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 57.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-4-iodo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide
CID 3949960
[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea
CID 129255825
4-[(4-acetamidophenyl)sulfonylamino]-N-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-1-hydroxynaphthalene-2-carboxamide
CID 12525040
5-bromo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]furan-2-carboxamide
CID 2435744
N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 130284062
2-methyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]cyclopropane-1-carboxamide
CID 4868535
ethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide
CID 143289888
1-(2-methylbutan-2-yl)-4-phenoxybenzene
CID 67473143
N-[4-[4-[1-[4-(4-acetamidophenoxy)phenyl]-1-phenylethyl]phenoxy]phenyl]acetamide
CID 51064300
4-(4-aminophenoxy)-1-hydroxy-N-(4-octadecoxyphenyl)naphthalene-2-carboxamide
CID 43834944
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 142594961

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-1-hydroxy-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide?
The IUPAC name of 4-acetamido-1-hydroxy-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide (CID 3901259) is 4-acetamido-1-hydroxy-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for 4-acetamido-1-hydroxy-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for 4-acetamido-1-hydroxy-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide is CCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3cc(NC(C)=O)c4ccccc4c3O)cc2)cc1.
What is the InChIKey of 4-acetamido-1-hydroxy-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide?
The InChIKey is VNIDLUSQNLHLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O4/c1-5-30(3,4)20-10-14-22(15-11-20)36-23-16-12-21(13-17-23)32-29(35)26-18-27(31-19(2)33)24-8-6-7-9-25(24)28(26)34/h6-18,34H,5H2,1-4H3,(H,31,33)(H,32,35).
What are the key properties of 4-acetamido-1-hydroxy-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide?
4-acetamido-1-hydroxy-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 7.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-1-hydroxy-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 3901259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).